SCHEMBL706418

SCHEMBL706418

c1ccc(Oc2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
MAOB P27338 1/20 0.44
CHEK2 O96017 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPK13 O15264 1/20 0.39
GCGR P47871 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
GSTP1 P09211 1/20 0.39
NPC1 O15118 1/20 0.38
SCN4A P35499 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16855883 0.88 MAPK13 (0.44) DHODHMAOBCHEK2MAPK13GCGR
SCHEMBL6502581 0.85 LTA4H (0.49) DHODHCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL9135156 0.83 GAA (0.49) DHODHMAOBCHEK2PIK3CDPIK3CA
SCHEMBL703677 0.82 DCUN1D1 (0.54) NR1H2NR1H3TSHRRAB9AGAA
SCHEMBL4655029 0.81 GP6 (0.49) NPC1GAA
SCHEMBL704303 0.81 MAOB (0.51) DHODHMAOBPIK3CDPIK3CAPIK3CB
SCHEMBL12761250 0.80 GP6 (0.37) TSHRNPC1RAB9AGAADCUN1D1
SCHEMBL6961454 0.79 GP6 (0.49) MAOBLTA4HNPC1RAB9AFFAR1
SCHEMBL1250174 0.79 GSTP1 (0.48) DHODHMAOBPIK3CDPIK3CAPIK3CB
SCHEMBL6961450 0.79 MAOA (0.44) MAOBNR1H2NR1H3FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411385-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2022-12-29 US disclosed
US-20220411385-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2022-12-29 US disclosed
WO-2022202414-A1 PROTECTIVE TAPE, SEMICONDUCTOR PROTECTIVE TAPE, AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE 積水化学工業株式会社 2022-09-29 WO disclosed
WO-2022202414-A1 PROTECTIVE TAPE, SEMICONDUCTOR PROTECTIVE TAPE, AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE 積水化学工業株式会社 2022-09-29 WO disclosed
US-20210340112-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2021-11-04 US disclosed
EP-3083564-B1 HETEROARYL BUTANOIC ACID DERIVATIVES AS LTA4H INHIBITORS NOVARTIS AG (CH) 2018-07-11 EP disclosed
EP-3083564-B1 HETEROARYL BUTANOIC ACID DERIVATIVES AS LTA4H INHIBITORS NOVARTIS AG (CH) 2018-07-11 EP disclosed
US-20180170887-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES NOVARTIS PHARMA AG (CH) 2018-06-21 US disclosed
US-20180170887-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES NOVARTIS PHARMA AG (CH) 2018-06-21 US disclosed
US-9981926-B2 Heteroaryl butanoic acid derivatives NOVARTIS AG (CH) 2018-05-29 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
CN-1771050-A macrocyclic inhibitors of hepatitis c serine protease ENANTA PHARM INC (US) 2006-05-10 CN disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
US-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220411385-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES LTA4H, LTC4S, LTB4R DHODH 205/4885MAOB 664/4885CHEK2 4751/4885
US-20180170887-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES LTA4H, LTC4S, LTB4R DHODH 205/4885MAOB 664/4885CHEK2 4751/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 DHODH 2030/4885MAOB 1631/4885CHEK2 3955/4885
US-20210340112-A1 NOVEL HETEROARYL BUTANOIC ACID DERIVATIVES LTA4H, LTC4S, LTB4R DHODH 205/4885MAOB 664/4885CHEK2 4751/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.